4-[(2S)-2-isocyanatopyrrolidin-1-yl]sulfonyl-2-nitro-phenolate

Systemtic Name: 4-[(2S)-2-isocyanatopyrrolidin-1-yl]sulfonyl-2-nitro-phenolate Openeye Name: 4-[(2S)-2-isocyanatopyrrolidin-1-yl]sulfonyl-2-nitro-phenolate CAS Name: 4-[[(2S)-2-isocyanato-1-pyrrolidinyl]sulfonyl]-2-nitrophenolate IUPAC Name: 4-[(2S)-2-isocyanatopyrrolidin-1-yl]sulfonyl-2-nitrophenolate Traditional Name: 4-[(2S)-2-isocyanatopyrrolidino]sulfonyl-2-nitro-phenolate Formula: C11H10N3O6S- MolecularWeight: 312.2786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])N=C=O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])N=C=O

InChI

InChI=1S/C11H11N3O6S/c15-7-12-11-2-1-5-13(11)21(19,20)8-3-4-10(16)9(6-8)14(17)18/h3-4,6,11,16H,1-2,5H2/p-1/t11-/m0/s1